Geometry & MOs

Info

ID:	373015
PubChem CID:	131308584
Reduced:	FNO5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	241.032813
ΔH_f, kcal/mol:	-161.26
Dipole, Da:	4.87
IP(EA), eV:	-10.54(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-ethoxy-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])F)C(C(=O)O)O

DOS

IR

Vibrations